N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

C15H27N3O — CID 115505333

IUPACN-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(CN)c(OCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)18(12(3)4)8-9-19-15-14(10-16)7-6-13(5)17-15/h6-7,11-12H,8-10,16H2,1-5H3
InChIKeyYWCWZSLZRDEPLC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.35
Rot. Bonds7

About N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505333) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505333
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(CN)c(OCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-11(2)18(12(3)4)8-9-19-15-14(10-16)7-6-13(5)17-15/h6-7,11-12H,8-10,16H2,1-5H3
InChIKeyYWCWZSLZRDEPLC-UHFFFAOYSA-N
XLogP2.35
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505333) is N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is Cc1ccc(CN)c(OCCN(C(C)C)C(C)C)n1.
What is the InChIKey of N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is YWCWZSLZRDEPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)18(12(3)4)8-9-19-15-14(10-16)7-6-13(5)17-15/h6-7,11-12H,8-10,16H2,1-5H3.
What are the key properties of N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).